BDBM50151879 2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-3-mercapto-propionylamino}-3-carboxy-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL360749

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=RVMVHZSRUSGLEK-DWKLSMNSSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50151879   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Effective concentration to antagonise accessory gene regulator C3 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair